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Chinese Physics Letters 2015年第7期32卷 42-46页

作者：李奇楠赵书涛张晓美罗旺李瑞闫冰 Department of Physics College of Science Qiqihar University Qiqihar 161006 School of Physics and Electronic Science Fuyang Normal College Nuyang 236037 Institute of Atomic and molecular Physics Jilin University Changchun 130012 jilin provincial key laboratory of Applied Atomic and molecular spectroscopy Jilin University Changchun 130012

The electronic structures of PF and PF＋ are calculated with the high-level configuration interaction method. To improve the precision of calculations, the spin-orbit coupling effect, the scalar relativistic effect, and the Davidson correction（q-Q） are also considered. The spectroscopic parameters of bound states are derived by the electronic structures of PF and PF＋, which are in good accordance with the measurements. The transition dipole moments of spin-allowed transitions are evaluated, and the radiative lifetimes of several A S states of PF and PF＋ are obtained.

关键词： A Precise Description of the Electronic Structures and Spin-Allowed Transition Properties of PF and Its Cation:All-Electron Configuration-Interaction Investigations Including Relativistic Effect PF TDM

Superatom-assembly induced transition from insulator to semiconductor:A theoretical study

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Science China Materials 2019年第3期62卷 416-422页

作者： Jia Wang Wanrun Jiang Weiyu Xie Jianpeng Wang Zhigang Wang Institute of Atomic and molecular Physics Jilin UniversityChangchun 130012China jilin provincial key laboratory of Applied Atomic and molecular spectroscopy(jilin University) Changchun 130012China

Assembly is an effective way to realize the functionalization potential of boron-based superatoms. Here we study the interaction between typical boron-based B40 superatoms using the density functional theory. Our results reveal that different oligomers constructed by modulating the arrangement of two B40 superatoms still retain some of the superatomic properties associated with their monomeric form despite possessing different electronic structures. While the inner shell superatomic orbitals maintain their electronic localization, the valence shell superatomic orbitals cannot maintain their original shape due to bonding and antibonding hybridization. Furthermore, the decreasing of band gap means that the B40 oligomers could achieve a transformation from insulators to semiconductors. The decreased band gap is possibly due to the disappearance of the superatomic orbitals with the principal quantum number of two. Our findings highlight that superatom–superatom interactions could induce synergy effects that differ from their monomers. Therefore, this research will aid in the development of new materials and devices that are constructed from superatoms.

关键词： superatom intermolecular interaction electronic structure density functional theory

Accurate prediction of interference minima in linear molecular harmonic spectra by a modified two-center model

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Chinese Physics B 2016年第3期25卷 163-168页

作者：崔鑫张頔玉陈高陈基根曾思良郭福明杨玉军 Institute of Atomic and molecular Physics Jilin UniversityChangchun 130012China jilin provincial key laboratory of Applied Atomic and molecular spectroscopy Jilin UniversityChangchun 130012China School of Science Changchun University of Science and TechnologyChangchun 130022China Department of Physics and Materials Engineering Taizhou UniversityTaizhou 318000China Institute of Applied Physics and Computational Mathematics Beijing 100088China

We demonstrate that the interference minima in the linear molecular harmonic spectra can be accurately predicted by a modified two-center model. Based on systematically investigating the interference minima in the linear molecular harmonic spectra by the strong-field approximation （SFA）, it is found that the locations of the harmonic minima are related not only to the nuclear distance between the two main atoms contributing to the harmonic generation, but also to the symmetry of the molecular orbital. Therefore, we modify the initial phase difference between the double wave sources in the two-center model, and predict the harmonic minimum positions consistent with those simulated by SFA.

关键词： high-order harmonic generation molecular harmonics

Channel-Resolved Ultrafast Dissociation Dynamics of NO2 Molecules Studied via Femtosecond Time-Resolved Ion Imaging

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Chinese Journal of Chemical Physics 2019年第3期32卷 292-298,I0001页

作者： Qin-xin Wang Dan-dan Shi Jun-feng Zhang Xue Wang Yu Si Chun-bin Gao Jian Fang Si-zuo Luo College of Electrical Engineering Jilin Engineering Normal UniversityChangchun 130012China Institute of Atomic and molecular Physics and jilin provincial key laboratory of Applied Atomic and molecular spectroscopy Jilin UniversityChangchun 130012China

The ultrafast dissociation dynamics of NO2 molecules was investigated by femtosecond laser pump-probe mass spectra and ion *** results show that the kinetic energy release of NO+ions has two components,0.05 eV and 0.25 eV,and the possible dissociation channels have been *** channel resolved transient measurement of NO^+provides a method to disentangle the contribution of ultrafast dissociation pathways,and the transient curves of NO^+ions at different kinetic energy release are fitted by a biexponential *** fast component with a decay time of 0.25 ps is generated from the evolution of Rydberg *** slow component is generated from two competitive channels,one of the channel is absorbing one 400nm photon to the excited state A^2B2,which has a decay time of 30.0ps,and the other slow channel is absorbing three 400nm photons to valence type Rydberg states which have a decay time less than *** channel and time resolved experiment present the potential of sorting out the complex ultrafast dissociation dynamics of molecules.

关键词： Ultrafast dynamics Strong field ionization Photodissociation dynamic Velocity map imaging

All-boron fullerene B_(40):a superatomic structure

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Science China Materials 2017年第12期60卷 1264-1268页

作者：王佳于天荣高阳王志刚 Institute of Atomic and molecular Physics Jilin Universlty Changchun 130012 China jilin provincial key laboratory of Applied Atomic and molecular spectroscopy (jilin University) Changchun 130012 China

By means of the first-principles calculations, we reveal that B40 presents superatomic properties. It not only has superatomic 1S, 1P, 1D and 1F orbitals, but also has superatomic orbitals 2S, 2P, 2D and 2F. The superatomic 2F orbital of B40 is partially occupied, thus adding six electrons to the cluster leads to a superatomic structure of fully occupied shells. The computed nucleus-independent chemical shift values suggest that the B406 is of higher electron delocalization than B40 itselL Our work opens up a new perspective for the superatomic physics in boron fullerene family,

关键词： boron fullerene superatom electronic structure first-principles

Effect of sample temperature on laser-induced semiconductor plasma spectroscopy

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Chinese Optics Letters 2016年第12期14卷 131-135页

作者：刘杨佟悦李苏宇王莹陈安民金明星 Institute of Atomic and molecular Physics Jilin University Changchun 130012 China jilin provincial key laboratory of Applied Atomic and molecular spectroscopy (jilin University) Changchun 130012 China Aviation University of Air Force Changchun 130021 China

We investigate the temperature dependence of the emission spectrum of a laser-induced semiconductor（Ge and Si） plasma. The change in spectral intensity with the sample temperature indicates the change of the laser ablation mass. The reflectivity of the target surface is reduced as the sample is heated, which leads to an increase in the laser energy coupled to the surface of the sample and eventually produces a higher spectral *** spectral intensities are enhanced by a few times at high temperatures compared with the cases at low temperatures. The spectral intensity of Ge is enhanced by 1.5 times at 422.66 nm, and 3 times at589.33 nm when the sample temperature increases from 50°C to 300°C. We can obtain the same emission intensity by a more powerful laser or by less pulse energy with a higher sample temperature. Based on experimental observations we conclude that the preheated sample can improve the emission intensity of laser-induced semiconductor plasma spectroscopy.

关键词： reflectivity ablation powerful heated eventually conclude heating spectrometer wafer partition

Ultrafast Dynamics of Defect-Assisted Carrier Capture in MoS2 Nanodots Investigated by Transient Absorption spectroscopy

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Chinese Journal of Chemical Physics 2018年第3期31卷 277-283,367页

作者： Da Ke Lai-zhi Sui Dun-li Liu Jian-qiu Cui Yun-feng Zhang Qing-yi Li Su-yu Li Yuan-fei Jiang An-min Chen Jun-ling Song Ming-xing Jin Institute of Atomic and molecular Physics Jilin UniversityChangchun 130012China jilin provincial key laboratory of Applied Atomic and molecular spectroscopy Jilin UniversityChangchun 130012China State key laboratory of molecular Reaction Dynamics Dalian Institute of Chemical PhysicsDalian 116023China School of Chemical&Material Engineering Jiangnan UniversityWuxi 214122China

MoS2 nanodots are emerging as promising semiconductor materials for optoelectronic devices. However, most of the recent attention is focused on the fabrication of MoS2 nanodots,and the survey for exciton dynamics of MoS2 nanodots remains less explored. Herein, we use femtosecond transient absorption spectroscopy to investigate the carrier dynamics of MoS2 nanodots. Our results show that defect-assisted carrier recombination processes are well consistent with the observed dynamics. The photo-excited carriers are captured by defects with at least two different capture rates via Auger scattering. Four processes are deemed to take part in the carrier relaxation. After photoexcitation, carrier cooling occurs instantly within ～0.5 ps. Then most of carriers are fast captured by the defects, and the corresponding time constant increases from ～4.9 ps to ～9.2 ps with increasing pump fluence, which may be interpreted by saturation of the defect states. Next a small quantity of carriers is captured by the other kinds of defects with a relatively slow carrier capture time within ～65 ***, the remaining small fraction of carriers relaxes via direct interband electron-hole recombination within～1 ns. Our results may lead to deep insight into the fundamentals of carrier dynamics in MoS2 nanodots, paving the way for their further applications.

关键词： MoS2 Transient absorption spectroscopy Defect-assisted carrier capture

Flower-like NiCo_(2)S_(4)nanosheets with high electrochemical performance for sodium-ion batteries

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Nano Research 2020年第11期13卷 3041-3047页

作者： Yongqiang Miao Xiaosen Zhao Xin Wang Chenhui Ma Lu Cheng Gang Chen Huijuan Yue Lei Wang Dong Zhang key laboratory of Physics and Technology for Advanced Batteries(Ministry of Education) Jilin Key Engineering Laboratory of New Energy Materials and TechnologiesCollege of PhysicsJilin UniversityChangchun130012China State key laboratory of Inorganic Synthesis and Preparative Chemistry College of ChemistryJilin UniversityChangchun130012China key laboratory of Eco-Chemical Engineering(Ministry of Education) College of Chemistry and Molecular EngineeringQingdao University of Science and TechnologyQingdao266042China

A three-dimensional flower-like NiCo_(2)S_(4) formed by two-dimensional nanosheets is synthesized by a facile hydrothermal method and utilized as the anode for sodium-ion *** have shown that materials can achieve the best performance under the ether-based electrolyte system with voltage ranging from 0.3 to 3 V,which could effectively avoid the dissolution of polysulfides and over-discharge of the ***,sodium storage mechanism and charge compensation behaviors of this ternary metal sulfide are comprehensively investigated by ex situ X-ray ***,ex situ Raman spectra,ex situ X-ray photoelectron spectroscopy and transmission electron microscopy measurements are used to related tests for the first ***,quantitative kinetic analysis unravels that sodium storage partially depends on the pseudocapacitance mechanism,resulting in good specific capacity and excellent rate *** initial discharge capacity is as high as 748 mAh·g^(−1)at a current density of 0.1 A·g^(−1)with the initial coulomb efficiency of 94%,and the capacity can still maintain at 580 mAh·g^(−1)with the Coulomb efficiency close to 100%after following 50 ***,by the long cycle test at a high current density of 2 A·g^(−1),the capacity can still reach at 376 mAh·g^(−1)after over 500 cycles.

关键词： NiCo_(2)S_(4) sodium-ion batteries anode materials sodium storage mechanism pseudocapacitance

Overview of quantum memory protection and adiabaticity induction by fast signal control

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Science Bulletin 2015年第3期60卷 328-335,I0001页

作者：景俊吴连坳 Institute of Atomic and molecular Physics and provincial key laboratory of Applied Atomic and molecular spectroscopy Jilin University Department of Theoretical Physics and History of Science The Basque Country University (EHU/UPV) Ikerbasque Basque Foundation for Science

A quantum memory or information processing device is subject to the disturbance from its surrounding environment or the inevitable leakage due to its contact with other systems. To tackle these problems, several control protocols have been proposed for quantum memory or storage. Among them, the fast signal control or dynamical decoupling based on external pulse sequences provides a prevailing strategy aimed at suppressing decoherence and preventing the target systems from the leakage or diffusion process. In this paper, we review the applications of this protocol in protecting quantum memory under the non-Markovian dissipative noise and maintaining systems on finite speed adiabatic passages without leakage therefrom. We analyze perturbative and nonperturbative dynamical equations for leakage and control, including second-order master equation, quantum-state-diffusion equation, and one-component master equation derived from Feshbach PQ-partitioning technique. It turns out that the quality of fast-modulated signal control is insensitive to configurations of the applied pulse sequences. Specifically, decoherence and leakage will be greatly suppressed as long as the control sequence is able to effectively shift the system beyond the bath cutoff frequency, almost independent of the details of the control sequences that could be ideal pulses, regular rectangular pulses, random pulses and even noisy pulses.

关键词： Decoherence Fast signal control Quantum noise Quantum-state-diffusion equation

Stability and isomerization reactions of phenyl cation C6H5+ isomers

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Stability and isomerization reactions of phenyl cation C6H5+...